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115421-49-3 | 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl-
CAS No: 115421-49-3 Catalog No: AG000FYZ MDL No:
Product Description
Catalog Number:
AG000FYZ
Chemical Name:
1,2,4,6-Tetrathiepane, 3,5,7-trimethyl-
CAS Number:
115421-49-3
Molecular Formula:
C6H12S4
Molecular Weight:
212.4195
IUPAC Name:
3,5,7-trimethyl-1,2,4,6-tetrathiepane
InChI:
InChI=1S/C6H12S4/c1-4-7-5(2)9-10-6(3)8-4/h4-6H,1-3H3
InChI Key:
WMWRKEXBIGLGBW-UHFFFAOYSA-N
SMILES:
CC1SC(C)SSC(S1)C
Properties
Complexity:
93.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.982g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.402g/mol
Monoisotopic Mass:
211.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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